Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H36N8O2S/c1-8-30(5)23-20-15-19(35(33,34)28-22-16(2)27-32(7)17(22)3)9-10-21(20)25-24(26-23)31(6)18-11-13-29(4)14-12-18/h9-10,15,18,28H,8,11-14H2,1-7H3 |
InChIKey | InChI | 1.03 | FKMXYCIDOKESEP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(C)c1nc(nc2ccc(cc12)[S](=O)(=O)Nc3c(C)nn(C)c3C)N(C)C4CCN(C)CC4 |
SMILES | CACTVS | 3.385 | CCN(C)c1nc(nc2ccc(cc12)[S](=O)(=O)Nc3c(C)nn(C)c3C)N(C)C4CCN(C)CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN(C)c1c2cc(ccc2nc(n1)N(C)C3CCN(CC3)C)S(=O)(=O)Nc4c(nn(c4C)C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCN(C)c1c2cc(ccc2nc(n1)N(C)C3CCN(CC3)C)S(=O)(=O)Nc4c(nn(c4C)C)C |